CID 46928274

2-chloro-n-methyl-4-(trifluoromethyl)aniline hydrochloride

Structural Information

Molecular Formula
C8H7ClF3N
SMILES
CNC1=C(C=C(C=C1)C(F)(F)F)Cl
InChI
InChI=1S/C8H7ClF3N/c1-13-7-3-2-5(4-6(7)9)8(10,11)12/h2-4,13H,1H3
InChIKey
QDOHTKAPXFVBFK-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-4-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

209.02191 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.02919 140.6
[M+Na]+ 232.01113 150.8
[M+NH4]+ 227.05573 147.3
[M+K]+ 247.98507 144.8
[M-H]- 208.01463 138.8
[M+Na-2H]- 229.99658 146.0
[M]+ 209.02136 141.6
[M]- 209.02246 141.6
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