CID 3660727

19254-79-6

Structural Information

Molecular Formula
C9H10Br2O
SMILES
COC1=CC(=CC(=C1)CBr)CBr
InChI
InChI=1S/C9H10Br2O/c1-12-9-3-7(5-10)2-8(4-9)6-11/h2-4H,5-6H2,1H3
InChIKey
XXPXGGWQRLEFSK-UHFFFAOYSA-N
Compound name
1,3-bis(bromomethyl)-5-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

291.90985 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.91713 140.0
[M+Na]+ 314.89907 151.2
[M-H]- 290.90257 146.9
[M+NH4]+ 309.94367 159.7
[M+K]+ 330.87301 136.1
[M+H-H2O]+ 274.90711 148.2
[M+HCOO]- 336.90805 156.7
[M+CH3COO]- 350.92370 203.2
[M+Na-2H]- 312.88452 147.4
[M]+ 291.90930 175.4
[M]- 291.91040 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe