CID 57415834

1234616-58-0

Structural Information

Molecular Formula
C9H9IN2
SMILES
CC1=C2C=CC(=CC2=NN1C)I
InChI
InChI=1S/C9H9IN2/c1-6-8-4-3-7(10)5-9(8)11-12(6)2/h3-5H,1-2H3
InChIKey
UKENDKYFSVCBRV-UHFFFAOYSA-N
Compound name
6-iodo-2,3-dimethylindazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

271.98105 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.98833 132.8
[M+Na]+ 294.97027 138.2
[M-H]- 270.97377 129.0
[M+NH4]+ 290.01487 149.7
[M+K]+ 310.94421 140.8
[M+H-H2O]+ 254.97831 123.1
[M+HCOO]- 316.97925 151.8
[M+CH3COO]- 330.99490 143.8
[M+Na-2H]- 292.95572 128.8
[M]+ 271.98050 133.5
[M]- 271.98160 133.5
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