CID 212645

(+-)-endo-n-(2-bornyl)-alpha,alpha,alpha-trifluoro-p-toluamide

Structural Information

Molecular Formula
C18H22F3NO
SMILES
CC1(C2CCC1(C(C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)C)C
InChI
InChI=1S/C18H22F3NO/c1-16(2)13-8-9-17(16,3)14(10-13)22-15(23)11-4-6-12(7-5-11)18(19,20)21/h4-7,13-14H,8-10H2,1-3H3,(H,22,23)
InChIKey
AMGXFVJNSHIIGQ-UHFFFAOYSA-N
Compound name
4-(trifluoromethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.16534 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17262 175.1
[M+Na]+ 348.15456 183.2
[M-H]- 324.15806 177.7
[M+NH4]+ 343.19916 198.4
[M+K]+ 364.12850 178.1
[M+H-H2O]+ 308.16260 168.5
[M+HCOO]- 370.16354 190.6
[M+CH3COO]- 384.17919 210.5
[M+Na-2H]- 346.14001 176.0
[M]+ 325.16479 171.0
[M]- 325.16589 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.