CID 2774018

261763-27-3

Structural Information

Molecular Formula
C7H4BrCl2F
SMILES
C1=C(C(=CC(=C1F)Cl)Cl)CBr
InChI
InChI=1S/C7H4BrCl2F/c8-3-4-1-7(11)6(10)2-5(4)9/h1-2H,3H2
InChIKey
SXAZGVVUQUTRIS-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2,4-dichloro-5-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

255.88576 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.89304 136.8
[M+Na]+ 278.87498 152.5
[M-H]- 254.87848 142.0
[M+NH4]+ 273.91958 159.5
[M+K]+ 294.84892 138.2
[M+H-H2O]+ 238.88302 138.6
[M+HCOO]- 300.88396 149.3
[M+CH3COO]- 314.89961 190.1
[M+Na-2H]- 276.86043 143.6
[M]+ 255.88521 157.1
[M]- 255.88631 157.1
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