CID 17750525

2-methyl-3-nitrophenylboronic acid

Structural Information

Molecular Formula
C7H8BNO4
SMILES
B(C1=C(C(=CC=C1)[N+](=O)[O-])C)(O)O
InChI
InChI=1S/C7H8BNO4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4,10-11H,1H3
InChIKey
OZOLRGZAVBQRBG-UHFFFAOYSA-N
Compound name
(2-methyl-3-nitrophenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

181.05464 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06192 133.4
[M+Na]+ 204.04386 145.5
[M+NH4]+ 199.08846 140.6
[M+K]+ 220.01780 144.2
[M-H]- 180.04736 135.1
[M+Na-2H]- 202.02931 138.3
[M]+ 181.05409 135.3
[M]- 181.05519 135.3
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