CID 4430239

Cyclopropyl[3-(trifluoromethyl)phenyl]methanamine

Structural Information

Molecular Formula
C11H12F3N
SMILES
C1CC1C(C2=CC(=CC=C2)C(F)(F)F)N
InChI
InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-2-8(6-9)10(15)7-4-5-7/h1-3,6-7,10H,4-5,15H2
InChIKey
NSVKYISBQIIXQE-UHFFFAOYSA-N
Compound name
cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.09218 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.09946 135.2
[M+Na]+ 238.08140 143.9
[M-H]- 214.08490 138.5
[M+NH4]+ 233.12600 148.6
[M+K]+ 254.05534 139.9
[M+H-H2O]+ 198.08944 126.4
[M+HCOO]- 260.09038 154.6
[M+CH3COO]- 274.10603 192.8
[M+Na-2H]- 236.06685 139.8
[M]+ 215.09163 131.2
[M]- 215.09273 131.2
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

patents stripe