CID 5224207

2-chloro-3-(trifluoromethyl)benzylamine

Structural Information

Molecular Formula
C8H7ClF3N
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)Cl)CN
InChI
InChI=1S/C8H7ClF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H,4,13H2
InChIKey
GRFVQNWTQVWNBY-UHFFFAOYSA-N
Compound name
[2-chloro-3-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

209.02191 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02919 137.2
[M+Na]+ 232.01113 147.5
[M-H]- 208.01463 137.0
[M+NH4]+ 227.05573 156.9
[M+K]+ 247.98507 142.5
[M+H-H2O]+ 192.01917 130.4
[M+HCOO]- 254.02011 153.2
[M+CH3COO]- 268.03576 186.5
[M+Na-2H]- 229.99658 142.1
[M]+ 209.02136 133.7
[M]- 209.02246 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe