CID 13295033

4-(difluoromethoxy)-3-methylaniline

Structural Information

Molecular Formula
C8H9F2NO
SMILES
CC1=C(C=CC(=C1)N)OC(F)F
InChI
InChI=1S/C8H9F2NO/c1-5-4-6(11)2-3-7(5)12-8(9)10/h2-4,8H,11H2,1H3
InChIKey
YDSABVFETOCXQR-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

173.06522 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07250 132.1
[M+Na]+ 196.05444 140.8
[M-H]- 172.05794 133.2
[M+NH4]+ 191.09904 152.2
[M+K]+ 212.02838 138.8
[M+H-H2O]+ 156.06248 124.8
[M+HCOO]- 218.06342 154.5
[M+CH3COO]- 232.07907 183.1
[M+Na-2H]- 194.03989 136.2
[M]+ 173.06467 129.1
[M]- 173.06577 129.1
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