CID 17750664

706786-42-7

Structural Information

Molecular Formula
C8H7BrF2O
SMILES
COC1=C(C=C(C=C1F)CBr)F
InChI
InChI=1S/C8H7BrF2O/c1-12-8-6(10)2-5(4-9)3-7(8)11/h2-3H,4H2,1H3
InChIKey
IQTBMXJVMUSGSL-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-1,3-difluoro-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

235.96483 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97211 139.4
[M+Na]+ 258.95405 153.0
[M-H]- 234.95755 143.9
[M+NH4]+ 253.99865 161.4
[M+K]+ 274.92799 142.0
[M+H-H2O]+ 218.96209 138.3
[M+HCOO]- 280.96303 159.8
[M+CH3COO]- 294.97868 189.4
[M+Na-2H]- 256.93950 145.7
[M]+ 235.96428 157.6
[M]- 235.96538 157.6
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