CID 27274673

1082041-53-9

Structural Information

Molecular Formula
C8H7IN2
SMILES
CC1=C2C=CC(=CC2=NN1)I
InChI
InChI=1S/C8H7IN2/c1-5-7-3-2-6(9)4-8(7)11-10-5/h2-4H,1H3,(H,10,11)
InChIKey
WZFXTMDHAKOGFQ-UHFFFAOYSA-N
Compound name
6-iodo-3-methyl-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

257.9654 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.97268 130.4
[M+Na]+ 280.95462 134.8
[M-H]- 256.95812 124.9
[M+NH4]+ 275.99922 146.7
[M+K]+ 296.92856 136.8
[M+H-H2O]+ 240.96266 120.7
[M+HCOO]- 302.96360 148.2
[M+CH3COO]- 316.97925 140.7
[M+Na-2H]- 278.94007 126.9
[M]+ 257.96485 128.5
[M]- 257.96595 128.5
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