CID 727054

329778-59-8

Structural Information

Molecular Formula
C14H12BrF2NO2
SMILES
COC1=CC(=CC(=C1O)CNC2=C(C=C(C=C2)F)F)Br
InChI
InChI=1S/C14H12BrF2NO2/c1-20-13-5-9(15)4-8(14(13)19)7-18-12-3-2-10(16)6-11(12)17/h2-6,18-19H,7H2,1H3
InChIKey
ZNRJPKUGUBBVHS-UHFFFAOYSA-N
Compound name
4-bromo-2-[(2,4-difluoroanilino)methyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.00195 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.00923 169.0
[M+Na]+ 365.99117 181.0
[M-H]- 341.99467 174.9
[M+NH4]+ 361.03577 185.6
[M+K]+ 381.96511 167.9
[M+H-H2O]+ 325.99921 165.6
[M+HCOO]- 388.00015 188.3
[M+CH3COO]- 402.01580 208.4
[M+Na-2H]- 363.97662 172.5
[M]+ 343.00140 186.4
[M]- 343.00250 186.4
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

No patent data available for this compound.