CID 75011

3-iodo-1,2,4,5-tetramethylbenzene

Structural Information

Molecular Formula
C10H13I
SMILES
CC1=CC(=C(C(=C1C)I)C)C
InChI
InChI=1S/C10H13I/c1-6-5-7(2)9(4)10(11)8(6)3/h5H,1-4H3
InChIKey
MCRSYYLHVQGFNR-UHFFFAOYSA-N
Compound name
3-iodo-1,2,4,5-tetramethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

260.0062 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01348 136.5
[M+Na]+ 282.99542 139.9
[M-H]- 258.99892 134.3
[M+NH4]+ 278.04002 153.9
[M+K]+ 298.96936 143.6
[M+H-H2O]+ 243.00346 128.3
[M+HCOO]- 305.00440 155.4
[M+CH3COO]- 319.02005 190.4
[M+Na-2H]- 280.98087 129.4
[M]+ 260.00565 135.9
[M]- 260.00675 135.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe