CID 3017933

69411-05-8

Structural Information

Molecular Formula
C7H5ClF3N
SMILES
C1=C(C=C(C=C1N)Cl)C(F)(F)F
InChI
InChI=1S/C7H5ClF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2
InChIKey
OVENUGPMQDFGLE-UHFFFAOYSA-N
Compound name
3-chloro-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

387
Patents

195.00626 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.013536 132.4
[M+Na]+ 217.995478 143.2
[M-H]- 193.998984 132.4
[M+NH4]+ 213.040083 152.7
[M+K]+ 233.969418 138.4
[M+H-H2O]+ 178.003520 125.9
[M+HCOO]- 240.004461 148.7
[M+CH3COO]- 254.020111 183.5
[M+Na-2H]- 215.980926 137.9
[M]+ 195.00571142 128.5
[M]- 195.00680858 128.5
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