CID 688247

2,6-dichloro-4-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H4Cl2F3NO
SMILES
C1=C(C=C(C(=C1Cl)N)Cl)OC(F)(F)F
InChI
InChI=1S/C7H4Cl2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChIKey
FKISQWQHZULEEG-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

244.9622 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.96948 140.4
[M+Na]+ 267.95142 152.3
[M-H]- 243.95492 140.0
[M+NH4]+ 262.99602 159.3
[M+K]+ 283.92536 146.6
[M+H-H2O]+ 227.95946 134.6
[M+HCOO]- 289.96040 151.9
[M+CH3COO]- 303.97605 191.3
[M+Na-2H]- 265.93687 144.6
[M]+ 244.96165 139.5
[M]- 244.96275 139.5
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