CID 2757429

3,5-bis(trifluoromethyl)-2-chloroaniline

Structural Information

Molecular Formula
C8H4ClF6N
SMILES
C1=C(C=C(C(=C1C(F)(F)F)Cl)N)C(F)(F)F
InChI
InChI=1S/C8H4ClF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2
InChIKey
JKUFETFGEJPHEM-UHFFFAOYSA-N
Compound name
2-chloro-3,5-bis(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

262.99365 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00093 144.8
[M+Na]+ 285.98287 156.6
[M-H]- 261.98637 141.2
[M+NH4]+ 281.02747 162.4
[M+K]+ 301.95681 150.8
[M+H-H2O]+ 245.99091 135.8
[M+HCOO]- 307.99185 155.9
[M+CH3COO]- 322.00750 196.2
[M+Na-2H]- 283.96832 148.0
[M]+ 262.99310 137.2
[M]- 262.99420 137.2
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