CID 556066

5-chloro-2-nitrobenzyl alcohol

Structural Information

Molecular Formula
C7H6ClNO3
SMILES
C1=CC(=C(C=C1Cl)CO)[N+](=O)[O-]
InChI
InChI=1S/C7H6ClNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2
InChIKey
ULYZTHQGJXPEFT-UHFFFAOYSA-N
Compound name
(5-chloro-2-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

271
Patents

187.00362 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.01090 132.0
[M+Na]+ 209.99284 146.5
[M+NH4]+ 205.03744 140.7
[M+K]+ 225.96678 142.8
[M-H]- 185.99634 135.0
[M+Na-2H]- 207.97829 138.8
[M]+ 187.00307 135.1
[M]- 187.00417 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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