CID 53216220

2-bromo-6-chloro-4-(trifluoromethoxy)aniline

Structural Information

Molecular Formula
C7H4BrClF3NO
SMILES
C1=C(C=C(C(=C1Cl)N)Br)OC(F)(F)F
InChI
InChI=1S/C7H4BrClF3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
InChIKey
DIHNAXVPGYEEIO-UHFFFAOYSA-N
Compound name
2-bromo-6-chloro-4-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

288.91168 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.91896 149.4
[M+Na]+ 311.90090 163.9
[M-H]- 287.90440 152.3
[M+NH4]+ 306.94550 169.6
[M+K]+ 327.87484 150.1
[M+H-H2O]+ 271.90894 148.0
[M+HCOO]- 333.90988 163.6
[M+CH3COO]- 347.92553 196.3
[M+Na-2H]- 309.88635 154.8
[M]+ 288.91113 165.7
[M]- 288.91223 165.7
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