CID 83416

2,3-dihydro-2,2-dimethyl-7-nitrobenzofuran

Structural Information

Molecular Formula
C10H11NO3
SMILES
CC1(CC2=C(O1)C(=CC=C2)[N+](=O)[O-])C
InChI
InChI=1S/C10H11NO3/c1-10(2)6-7-4-3-5-8(11(12)13)9(7)14-10/h3-5H,6H2,1-2H3
InChIKey
ZQZNLPNVEXRNNG-UHFFFAOYSA-N
Compound name
2,2-dimethyl-7-nitro-3H-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

193.0739 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 138.2
[M+Na]+ 216.063118 146.9
[M-H]- 192.066624 144.0
[M+NH4]+ 211.107723 160.7
[M+K]+ 232.037058 142.2
[M+H-H2O]+ 176.071160 138.4
[M+HCOO]- 238.072101 162.0
[M+CH3COO]- 252.087751 177.3
[M+Na-2H]- 214.048566 147.6
[M]+ 193.07335142 138.5
[M]- 193.07444858 138.5
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