CID 22477852

(5-chloro-1h-indazol-3-yl)methanol

Structural Information

Molecular Formula
C8H7ClN2O
SMILES
C1=CC2=NNC(=C2C=C1Cl)CO
InChI
InChI=1S/C8H7ClN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-3,12H,4H2,(H,10,11)
InChIKey
YBUIOIPQDAOQHA-UHFFFAOYSA-N
Compound name
(5-chloro-2H-indazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

182.02469 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03197 133.4
[M+Na]+ 205.01391 145.4
[M-H]- 181.01741 133.4
[M+NH4]+ 200.05851 153.5
[M+K]+ 220.98785 139.6
[M+H-H2O]+ 165.02195 127.8
[M+HCOO]- 227.02289 150.3
[M+CH3COO]- 241.03854 147.0
[M+Na-2H]- 202.99936 140.8
[M]+ 182.02414 135.3
[M]- 182.02524 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