CID 54335079

Methyl 6-bromo-3-methoxy-2-methylbenzoate

Structural Information

Molecular Formula
C10H11BrO3
SMILES
CC1=C(C=CC(=C1C(=O)OC)Br)OC
InChI
InChI=1S/C10H11BrO3/c1-6-8(13-2)5-4-7(11)9(6)10(12)14-3/h4-5H,1-3H3
InChIKey
TUXBCXWWUOZFOX-UHFFFAOYSA-N
Compound name
methyl 6-bromo-3-methoxy-2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.98917 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.996446 144.9
[M+Na]+ 280.978388 157.5
[M-H]- 256.981894 151.9
[M+NH4]+ 276.022993 166.1
[M+K]+ 296.952328 147.7
[M+H-H2O]+ 240.986430 145.0
[M+HCOO]- 302.987371 166.4
[M+CH3COO]- 317.003021 193.0
[M+Na-2H]- 278.963836 150.4
[M]+ 257.98862142 167.5
[M]- 257.98971858 167.5
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