CID 130884737

3-fluoro-2-methyl-4-(trifluoromethyl)aniline hydrochloride

Structural Information

Molecular Formula
C8H7F4N
SMILES
CC1=C(C=CC(=C1F)C(F)(F)F)N
InChI
InChI=1S/C8H7F4N/c1-4-6(13)3-2-5(7(4)9)8(10,11)12/h2-3H,13H2,1H3
InChIKey
AJPCWPVUWZNTSX-UHFFFAOYSA-N
Compound name
3-fluoro-2-methyl-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

193.05147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05875 134.1
[M+Na]+ 216.04069 144.6
[M-H]- 192.04419 133.1
[M+NH4]+ 211.08529 153.8
[M+K]+ 232.01463 141.3
[M+H-H2O]+ 176.04873 125.8
[M+HCOO]- 238.04967 153.5
[M+CH3COO]- 252.06532 186.8
[M+Na-2H]- 214.02614 138.2
[M]+ 193.05092 127.6
[M]- 193.05202 127.6
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