CID 122199503

3-(difluoromethoxy)-5-fluoroaniline

Structural Information

Molecular Formula
C7H6F3NO
SMILES
C1=C(C=C(C=C1OC(F)F)F)N
InChI
InChI=1S/C7H6F3NO/c8-4-1-5(11)3-6(2-4)12-7(9)10/h1-3,7H,11H2
InChIKey
WFLKFQDDAKBSEQ-UHFFFAOYSA-N
Compound name
3-(difluoromethoxy)-5-fluoroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

177.04015 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04743 130.0
[M+Na]+ 200.02937 139.2
[M-H]- 176.03287 129.9
[M+NH4]+ 195.07397 149.9
[M+K]+ 216.00331 137.0
[M+H-H2O]+ 160.03741 121.9
[M+HCOO]- 222.03835 151.7
[M+CH3COO]- 236.05400 182.8
[M+Na-2H]- 198.01482 134.1
[M]+ 177.03960 125.5
[M]- 177.04070 125.5
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